ulmoside A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 48
Total Number of Articles : 42
PubChem 44199474
Molecular Formula

C21H22O12

SMILES

C1=CC(=C(C=C1[C@H]2[C@@H](C(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C21H22O12/c22-5-11-14(26)17(29)19(31)21(33-11)12-9(25)4-10-13(15(12)27)16(28)18(30)20(32-10)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-27,29-31H,5H2/t11-,14-,17+,18-,19-,20+,21+/m1/s1

synonyms
  • Ulmoside A
  • 1186493-51-5
  • CHEMBL564846
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Properties
Property Value
MW 466.4 g/mol
HBD 9
HBA 12
Rotatable Bond Count 3
Exact Mass 466.11112613 g/mol
Monoisotopic Mass 466.11112613 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 707
xlogp -1
Topological Polar Surface Area 218